Structure

Octahydro-8,8-dimethylnaphthalene-1-methyl acetate

CAS
93942-02-0
Catalog Number
ACM93942020
Category
Other Products
Molecular Weight
236.349860 [g/mol]
Molecular Formula
C15H24O2

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Specification

Synonyms
EINECS 300-550-4, CID3023010, Octahydro-8,8-dimethylnaphthalene-1-methyl acetate, 93942-02-0
IUPAC Name
(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methyl acetate
SMILES
CC(=O)OCC1CCCC2=C1C(CCC2)(C)C
InChI Key
QCRQUQACRUIYDX-UHFFFAOYSA-N
Boiling Point
307.5ºC at 760mmHg
Flash Point
106.8ºC
Density
1g/cm³
EC Number
300-550-4
Exact Mass
236.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octahydro-8,8-dimethylnaphthalene-1-methyl acetate?

The molecular formula is C15H24O2.

When was Octahydro-8,8-dimethylnaphthalene-1-methyl acetate first created in PubChem?

It was first created in PubChem on August 8, 2005.

What is the molecular weight of Octahydro-8,8-dimethylnaphthalene-1-methyl acetate?

The molecular weight is 236.35 g/mol.

What is the IUPAC name of Octahydro-8,8-dimethylnaphthalene-1-methyl acetate?

The IUPAC name is (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methyl acetate.

What is the InChI of Octahydro-8,8-dimethylnaphthalene-1-methyl acetate?

The InChI is InChI=1S/C15H24O2/c1-11(16)17-10-13-7-4-6-12-8-5-9-15(2,3)14(12)13/h13H,4-10H2,1-3H3.

What is the InChIKey of Octahydro-8,8-dimethylnaphthalene-1-methyl acetate?

The InChIKey is QCRQUQACRUIYDX-UHFFFAOYSA-N.

How many hydrogen bond acceptors does Octahydro-8,8-dimethylnaphthalene-1-methyl acetate have?

It has 2 hydrogen bond acceptors.

What is the topological polar surface area of Octahydro-8,8-dimethylnaphthalene-1-methyl acetate?

It is 26.3 Ų.

Does Octahydro-8,8-dimethylnaphthalene-1-methyl acetate have any defined atom stereocenter count?

No, it does not have any defined atom stereocenter count.

Is Octahydro-8,8-dimethylnaphthalene-1-methyl acetate a canonicalized compound in PubChem?

Yes, it is a canonicalized compound in PubChem.

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